2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide

C15H12ClN5OS2 — CID 2161074

IUPAC2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2)s1)Nc1cccnc1Cl
InChIInChI=1S/C15H12ClN5OS2/c16-13-11(7-4-8-17-13)19-12(22)9-23-15-21-20-14(24-15)18-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,20)(H,19,22)
InChIKeyUFNCTSGLVUFQOG-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.06
Rot. Bonds6

About 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 2161074) has the molecular formula C15H12ClN5OS2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID2161074
Molecular FormulaC15H12ClN5OS2
Molecular Weight377.88 g/mol
Exact Mass377.02
IUPAC Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2)s1)Nc1cccnc1Cl
InChIInChI=1S/C15H12ClN5OS2/c16-13-11(7-4-8-17-13)19-12(22)9-23-15-21-20-14(24-15)18-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,20)(H,19,22)
InChIKeyUFNCTSGLVUFQOG-UHFFFAOYSA-N
XLogP4.06
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide (CID 2161074) is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide is O=C(CSc1nnc(Nc2ccccc2)s1)Nc1cccnc1Cl.
What is the InChIKey of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is UFNCTSGLVUFQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5OS2/c16-13-11(7-4-8-17-13)19-12(22)9-23-15-21-20-14(24-15)18-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,20)(H,19,22).
What are the key properties of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide?
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 377.88 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 2161074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).